1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)propan-2-ol Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NC=NN2)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NC=NN2)O

InChI

InChI=1S/C15H21N3O2S/c1-15(2,3)11-4-6-13(7-5-11)20-8-12(19)9-21-14-16-10-17-18-14/h4-7,10,12,19H,8-9H2,1-3H3,(H,16,17,18)